2-tert-butyl-3-methylpiperazine

C9H20N2 — CID 116829179

IUPAC2-tert-butyl-3-methylpiperazine
SMILESCC1NCCNC1C(C)(C)C
InChIInChI=1S/C9H20N2/c1-7-8(9(2,3)4)11-6-5-10-7/h7-8,10-11H,5-6H2,1-4H3
InChIKeyFQUIZMWBKQOBIB-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.98
Rot. Bonds

About 2-tert-butyl-3-methylpiperazine

2-tert-butyl-3-methylpiperazine (PubChem CID 116829179) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-tert-butyl-3-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-3-methylpiperazine
PubChem CID116829179
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-tert-butyl-3-methylpiperazine
SMILESCC1NCCNC1C(C)(C)C
InChIInChI=1S/C9H20N2/c1-7-8(9(2,3)4)11-6-5-10-7/h7-8,10-11H,5-6H2,1-4H3
InChIKeyFQUIZMWBKQOBIB-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine
CID 138991310
(2S,3S)-2,3-dimethylpiperazine
CID 51614849
(2S,3S)-2-tert-butylpyrrolidin-3-ol
CID 96636706
trans-(2S,3S)-2,3-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 10893941
3-tert-butyl-2-methylpiperidine
CID 91446438
2-tert-butyl-3-(trifluoromethyl)pyrrolidine
CID 176601473
[(2S,3R)-3-methylpiperazin-2-yl]methanol
CID 125425294
1,2,3-tritert-butylpiperazine
CID 166024715
tetrakis(2-methylimidazolidine);nickel
CID 171038649
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229
2,3-dimethylpyrrolidine;ethane
CID 90972313
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)piperidine
CID 122695029

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methylpiperazine?
The IUPAC name of 2-tert-butyl-3-methylpiperazine (CID 116829179) is 2-tert-butyl-3-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-3-methylpiperazine?
The canonical SMILES for 2-tert-butyl-3-methylpiperazine is CC1NCCNC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methylpiperazine?
The InChIKey is FQUIZMWBKQOBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7-8(9(2,3)4)11-6-5-10-7/h7-8,10-11H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-3-methylpiperazine?
2-tert-butyl-3-methylpiperazine has a molecular weight of 156.27 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methylpiperazine is sourced from PubChem (CID 116829179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).